SCHEMBL4093992

SCHEMBL4093992

Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
CASP1 P29466 5/20 0.63
HSD17B10 Q99714 4/20 0.63
CASP7 P55210 3/20 0.63
ACHE P22303 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CYP1B1 Q16678 4/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
TSHR P16473 2/20 0.45
RPS6KA2 Q15349 1/20 0.45
ANPEP P15144 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MAPT P10636 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19834263 0.81 ALDH1A1 (0.72) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL2665682 0.80 CHRM2 (0.49) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL2663601 0.80 CYP1B1 (0.48) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL4484872 0.80 CYP1B1 (0.48) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL1581709 0.78 CYP1B1 (0.59) ALDH1A1ACHEGAACYP1B1
SCHEMBL10491309 0.76 POLB (0.63) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL30070294 0.75 POLB (0.57) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL6955085 0.75 CASP1 (0.55) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL6207310 0.75 POLB (0.57) ALDH1A1CASP1HSD17B10CASP7ACHE
SCHEMBL2658862 0.75 ACHE (0.70) ACHEDDB1CRBNRPS6KA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CASP1 1430/4885HSD17B10 1174/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CASP1 1430/4885HSD17B10 1174/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CASP1 1430/4885HSD17B10 1174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.